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	hartrees
Energy at 0K	-616.660975
Energy at 298.15K	-616.667697
Nuclear repulsion energy	208.389157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3085	3062	16.51
2	A'	3057	3034	16.82
3	A'	3046	3023	12.45
4	A'	2969	2946	22.65
5	A'	2959	2936	33.93
6	A'	1701	1688	13.37
7	A'	1500	1489	10.08
8	A'	1492	1481	0.78
9	A'	1424	1413	2.33
10	A'	1422	1411	3.61
11	A'	1316	1306	27.79
12	A'	1145	1136	28.60
13	A'	1076	1068	7.55
14	A'	1039	1031	22.58
15	A'	885	879	33.20
16	A'	540	535	27.43
17	A'	491	487	13.72
18	A'	325	323	1.03
19	A'	226	224	2.06
20	A"	3031	3008	17.27
21	A"	3003	2980	27.32
22	A"	1498	1486	8.78
23	A"	1475	1464	10.62
24	A"	1080	1072	2.05
25	A"	1060	1052	0.58
26	A"	810	804	12.96
27	A"	448	444	1.48
28	A"	241	239	2.32
29	A"	187	186	1.70
30	A"	111	110	0.12

Atom	x (Å)	y (Å)	z (Å)
H1	0.141	2.713	0.000
Cl2	-1.285	-0.806	0.000
C3	1.967	-1.094	0.000
C4	-0.640	1.934	0.000
H5	-1.278	2.078	0.889
H6	-1.278	2.078	-0.889
C7	0.000	0.571	0.000
C8	1.310	0.264	0.000
H9	1.988	1.130	0.000
H10	1.226	-1.906	0.000
H11	2.616	-1.215	-0.887
H12	2.616	-1.215	0.887

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7974	4.2224	1.1032	1.7905	1.7905	2.1464	2.7131	2.4324	4.7448	4.7267	4.7267
Cl2	3.7974		3.2652	2.8151	3.0187	3.0187	1.8841	2.8075	3.8031	2.7419	4.0217	4.0217
C3	4.2224	3.2652		3.9956	4.6243	4.6243	2.5774	1.5094	2.2243	1.0990	1.1059	1.1059
C4	1.1032	2.8151	3.9956		1.1037	1.1037	1.5053	2.5667	2.7480	4.2693	4.6155	4.6155
H5	1.7905	3.0187	4.6243	1.1037		1.7781	2.1667	3.2827	3.5148	4.7892	5.4003	5.0997
H6	1.7905	3.0187	4.6243	1.1037	1.7781		2.1667	3.2827	3.5148	4.7892	5.0997	5.4003
C7	2.1464	1.8841	2.5774	1.5053	2.1667	2.1667		1.3453	2.0649	2.7641	3.2895	3.2895
C8	2.7131	2.8075	1.5094	2.5667	3.2827	3.2827	1.3453		1.0994	2.1722	2.1639	2.1639
H9	2.4324	3.8031	2.2243	2.7480	3.5148	3.5148	2.0649	1.0994		3.1300	2.5848	2.5848
H10	4.7448	2.7419	1.0990	4.2693	4.7892	4.7892	2.7641	2.1722	3.1300		1.7877	1.7877
H11	4.7267	4.0217	1.1059	4.6155	5.4003	5.0997	3.2895	2.1639	2.5848	1.7877		1.7750
H12	4.7267	4.0217	1.1059	4.6155	5.0997	5.4003	3.2895	2.1639	2.5848	1.7877	1.7750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.450	H1	C4	H6	108.450
H1	C4	C7	109.779	Cl2	C7	C4	111.824
Cl2	C7	C8	119.843	C3	C8	C7	128.988
C3	C8	H9	116.110	C4	C7	C8	128.333
H5	C4	H6	107.326	H5	C4	C7	111.364
H6	C4	C7	111.364	C7	C8	H9	114.902
C8	C3	H10	111.808	C8	C3	H11	110.721
C8	C3	H12	110.721	H10	C3	H11	108.340
H10	C3	H12	108.340	H11	C3	H12	106.732

All results from a given calculation for CH₃CClCHCH₃ (2-Butene, 2-chloro-, (Z)-)

using model chemistry: BLYP/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	H	0.140
2	Cl	-0.024
3	C	-0.419
4	C	-0.405
5	H	0.156
6	H	0.156
7	C	-0.110
8	C	-0.046
9	H	0.117
10	H	0.160
11	H	0.138
12	H	0.138

	x	y	z	Total
	1.704	1.581	0.000	2.325
CHELPG
AIM
ESP

<r²>	179.927
(<r²>)^1/2	13.414

All results from a given calculation for CH3CClCHCH3 (2-Butene, 2-chloro-, (Z)-)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for CH₃CClCHCH₃ (2-Butene, 2-chloro-, (Z)-)